N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H19ClF3N3O — CID 4768984

IUPACN-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-7(12(22)19-13(2,3)4)21-10(8-5-6-8)9(15)11(20-21)14(16,17)18/h7-8H,5-6H2,1-4H3,(H,19,22)
InChIKeyVOFXXCJIIRGHJJ-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.91
Rot. Bonds3

About N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4768984) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4768984
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC NameN-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-7(12(22)19-13(2,3)4)21-10(8-5-6-8)9(15)11(20-21)14(16,17)18/h7-8H,5-6H2,1-4H3,(H,19,22)
InChIKeyVOFXXCJIIRGHJJ-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4768984) is N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)NC(C)(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is VOFXXCJIIRGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-7(12(22)19-13(2,3)4)21-10(8-5-6-8)9(15)11(20-21)14(16,17)18/h7-8H,5-6H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 337.77 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4768984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).